3-bromanyl-4-butoxy-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

InChI

InChI=1S/C20H22BrN3O4S/c1-2-3-11-27-17-10-9-14(12-16(17)21)19(26)22-20(29)24-23-18(25)13-28-15-7-5-4-6-8-15/h4-10,12H,2-3,11,13H2,1H3,(H,23,25)(H2,22,24,26,29)